Geometry & MOs
Info
ID: |
314063 |
PubChem CID: |
126620222 |
Reduced: |
FINO2H13C14 (1) |
Stoich.: |
ABCD2E13F14 (1) |
Weight, g/mol: |
1052.45315 |
ΔHf, kcal/mol: |
-16.19 |
Dipole, Da: |
5.98 |
IP(EA), eV: |
-9.31(-2.1) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[(2S)-2-[[(2R)-2-[4-[3-[[2-[(3S)-5-(4-chlorophenyl)-1-ethanimidoyl-2-imino-6,7-dimethyl-3H-thieno[2,3-e][1,4]diazepin-3-yl]acetyl]amino]cyclobutyl]oxypiperidin-1-yl]propanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide